J/A+A/601/A50 Sub-millimeter spectra of 2-hydroxyacetonitrile (Margules+, 2017)
Sub-millimeter spectra of 2-hydroxyacetonitrile.
Margules L., McGuire B.A., Senent M.L., Motiyenko R.A., Remijan A.,
Guillemin J.C.
<Astron. Astrophys. 601, A50 (2017)>
=2017A&A...601A..50M 2017A&A...601A..50M (SIMBAD/NED BibCode)
ADC_Keywords: Atomic physics
Keywords: ISM: molecules - methods: laboratory: molecular - submillimeter: ISM -
molecular data - line: identification
Abstract:
Recent experimental works have studied the possible formation of
hydroxyacetonitrile on astrophysical grains. It was formed from
hydrogen cyanide (HCN) and formaldehyde (H2CO) in the presence of
water under interstellar medium (ISM) conditions. Because these
precursor molecules are abundant, hydroxyacetonitrile is an excellent
target for interstellar detection.
Previous studies of the rotational spectra were limited to 40GHz,
resulting in an inaccurate line list when predicted up to the
millimeter-wave range. We measured and analyzed its spectra up to
600GHz to enable is searches using cutting-edge millimeter and
submillimeter observatories.
The molecule 2-hydroxyacetonitrile exhibits large amplitude motion
that is due to the torsion of the hydroxyl group. The analysis of the
spectra was made using the RAS formalism available in the SPFIT
program with Watson's S-reduction Hamiltonians.
The submillimeter spectra of hydroxyacetonitrile, an astrophysically
interesting molecule, were analyzed. More than 5000 lines were fitted
with quantum number values reaching 75 and 25 for J and Ka,
respectively. An accurate line list and partition function were
provided. A search for hydroxyacetonitrile in publicly available GBT
PRIMOS project, IRAM 30m, and Herschel HEXOS observations of the Sgr
B2(N) high-mass star-forming region resulted in a non-detection; upper
limits to the column density were determined.
Description:
Measured frequencies and residuals from the global fit of the
submillimeter-wave data for 2-hydroxyacetonitrile and files used for
SPFIT.
Detailled explanations on SPFIT could be found at
https://www.astro.uni-koeln.de/cdms/pickett
File Summary:
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FileName Lrecl Records Explanations
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ReadMe 80 . This file
s1.dat 74 6799 Measured frequencies and residuals from the
global fit of the Infrared, and
submillimeter-wave data for 15NH2
s2.lin 108 6799 .lin file, input file for SPFIT
s3.par 80 66 .par file, input file for SPFIT
s4.cat 80 46619 .cat prediction up to 700 GHz
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See also:
J/A+A/493/565 : Deuterated and 15N ethyl cyanides (Margules+, 2009)
J/A+A/500/1109 : Rotational spectrum of HCOO13CH3 (Carvajal+, 2009)
J/A+A/538/A51 : Rotational spectrum of CH3CH(NH2)CN (Mollendal+, 2012)
J/A+A/538/A119 : Spectrum of 18O-methyl formate HCO18OCH3 (Tercero+ 2012)
J/A+A/540/A51 : Submm spectrum of deuterated glycolaldehydes (Bouchez+, 2012)
J/A+A/543/A46 : Submillimeter spectrum of HCOOCD2H (Coudert+, 2012)
J/A+A/543/A135 : New analysis of 13C-CH3CH2CN up to 1THz (Richard+, 2012)
J/A+A/544/A82 : Rotational spectroscopy of diisocyanomethane (Motiyenko+ 2012)
J/A+A/548/A71 : Spectroscopy and ISM detection of formamide (Motiyenko+, 2012)
J/A+A/549/A96 : mm and sub-mm spectra of 13C-glycolaldehydes (Haykal+, 2013)
J/A+A/549/A128 : Singly deuterated isotopologues of formamide (Kutsenko+, 2013)
J/A+A/552/A117 : Mono-deuterated dimethyl ether (Richard+, 2013)
J/A+A/553/A84 : (Sub)mm spectrum of deuterated methyl cyanides (Nguyen+, 2013)
J/A+A/559/A44 : Rotational spectrum of MAAN (CH2NCH2CN) (Motiyenko+, 2013)
J/A+A/563/A137 : THz spectrum of methylamine (Motiyenko+, 2014)
J/A+A/568/A58 : HCOO13CH3 rotational spectrum (Haykal+, 2014)
J/A+A/579/A46 : Mono13C acetaldehydes mm/submm wave spectra (Margules+ 2015)
J/A+A/590/A93 : Doubly 13C-substituted ethyl cyanide (Margules+, 2016)
J/A+A/591/A110 : 15NH2 amidogen radical rotational spectrum
(Margules+, 2016)
J/A+A/592/A43 : Millimeter wave spectra of carbonyl cyanide (Bteich+, 2016)
Byte-by-byte Description of file: s1.dat
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Bytes Format Units Label Explanations
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2- 3 I2 --- J" Upper J quantum number
5- 6 I2 --- Ka" Upper Ka quantum number
8- 9 I2 --- Kc" Upper Kc quantum number
12 I1 --- v" upper torsionnal level
14- 15 I2 --- J' Lower J quantum number
17- 18 I2 --- Ka' Lower Ka quantum number
20- 21 I2 --- Kc' Lower Kc quantum number
24 I1 --- v' Lower torsionnal level
39- 50 F12.5 --- Freq Observed transition frequency
56- 63 F8.5 --- O-C Observed - Calculated frequencies
68- 74 F7.5 --- unc Uncertainty of measurements
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Description of file:
File s2.lin (measured transition):
------------------------------------------------------------------------------
Bytes Format Units Label Explanations
------------------------------------------------------------------------------
2- 3 I2 --- J" Upper J quantum number
5- 6 I2 --- Ka" Upper Ka quantum number
8- 9 I2 --- Kc" Upper Kc quantum number
12 I1 --- v" upper torsionnal level
14- 15 I2 --- J' Lower J quantum number
17- 18 I2 --- Ka' Lower Ka quantum number
20- 21 I2 --- Kc' Lower Kc quantum number
24 I1 --- v' Lower torsionnal level
50- 59 F10.3 --- Freq Observed transition frequency
63- 67 F5.3 --- unc Uncertainty of measurements
69- 72 F4.2 --- WT relative weight of line within a blend
------------------------------------------------------------------------------
File s3.par (spectroscopic parameters):
First 3 lines for SFIPT use (see https://www.astro.uni-koeln.de/cdms/pickett)
For lines 4 to 66:
------------------------------------------------------------------------------
Bytes Format Units Label Explanations
------------------------------------------------------------------------------
9- 13 I5 --- IDPAR coding of the parameter
16- 37 E22.15 --- PAR parameter value
39- 52 E14.8 --- ERPAR parameter uncertainty
54- 64 A11 --- LABEL parameter label that is delimited by /
------------------------------------------------------------------------------
File s4.cat (spectrum prevision):
------------------------------------------------------------------------------
Bytes Format Units Label Explanations
------------------------------------------------------------------------------
3- 13 F12.4 MHz FREQ Frequency of the line
16- 21 F8.4 MHz ERR Estimated or experimental error
23- 29 F7.4 --- LGINT Base 10 logarithm of the integrated intensity
in units of nm2 MHz
31 I1 --- DR Degrees of freedom in the rotational partition
function
33- 41 F9.4 --- ELO Lower state energy in wavenumbers
42- 44 I3 --- GUP Upper state degeneracy
47- 51 I5 --- TAG Species tag or molecular identifier
52- 55 I4 --- QNFMT Identifies the format of the quantum numbers
given in the field QN
56- 57 I2 --- J" Upper J quantum number
58- 59 I2 --- Ka" Upper Ka quantum number
60- 61 I2 --- Kc" Upper Kc quantum number
63 I1 --- v" upper torsionnal level
68- 69 I2 --- J' Lower J quantum number
70- 71 I2 --- Ka' Lower Ka quantum number
72- 73 I2 --- Kc' Lower Kc quantum number
75 I1 --- v' Lower torsionnal level
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Acknowledgements:
Laurent Margules, laurent.margules(at)univ-lille1.fr
(End) Laurent Margules [Phlam, France], Patricia Vannier [CDS] 28-Feb-2017